2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide

C12H8F2N4O3 — CID 153398124

IUPAC2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide
SMILESN#Cc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)o1
InChIInChI=1S/C12H8F2N4O3/c13-1-2-18-6-7(3-8(14)12(18)20)17-11(19)9-5-16-10(4-15)21-9/h3,5-6H,1-2H2,(H,17,19)
InChIKeyRDNGZSWECCHBKE-UHFFFAOYSA-N
MW294.22 g/mol
LogP1.07
Rot. Bonds4

About 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide

2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide (PubChem CID 153398124) has the molecular formula C12H8F2N4O3 and a molecular weight of 294.22 g/mol. Its IUPAC name is 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide
PubChem CID153398124
Molecular FormulaC12H8F2N4O3
Molecular Weight294.22 g/mol
Exact Mass294.06
IUPAC Name2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide
SMILESN#Cc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)o1
InChIInChI=1S/C12H8F2N4O3/c13-1-2-18-6-7(3-8(14)12(18)20)17-11(19)9-5-16-10(4-15)21-9/h3,5-6H,1-2H2,(H,17,19)
InChIKeyRDNGZSWECCHBKE-UHFFFAOYSA-N
XLogP1.07
TPSA100.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propyl]-1,3-oxazole-5-carboxamide
CID 90650033
2-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide
CID 167618481
2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide
CID 167619261
2-chloro-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide
CID 167620664
2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide
CID 167695976

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide (CID 153398124) is 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide is N#Cc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)o1.
What is the InChIKey of 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide?
The InChIKey is RDNGZSWECCHBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4O3/c13-1-2-18-6-7(3-8(14)12(18)20)17-11(19)9-5-16-10(4-15)21-9/h3,5-6H,1-2H2,(H,17,19).
What are the key properties of 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide?
2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide has a molecular weight of 294.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 153398124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).